(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H19ClO5S2 MolecularWeight: 402.91276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H19ClO5S2/c1-11(2)15-10-16(18)12(3)9-17(15)23-25(21,22)14-7-5-13(6-8-14)24(4,19)20/h5-11H,1-4H3